Analysis of the Errors in the Electrostatically Embedded Many-Body Expansion of the Energy and the Correlation Energy for Zn and Cd Coordination Complexes with Five and Six Ligands and Use of the Analysis to Develop a Generally Successful Fragmentation Strategy-Reference-Cited by-同舟云学术

Analysis of the Errors in the Electrostatically Embedded Many-Body Expansion of the Energy and the Correlation Energy for Zn and Cd Coordination Complexes with Five and Six Ligands and Use of the Analysis to Develop a Generally Successful Fragmentation Strategy

Published:2013-05-22 Issue:6 Volume:9 Page:2617-2628
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kurbanov Elbek K.¹,Leverentz Hannah R.¹,Truhlar Donald G.¹,Amin Elizabeth A.¹

Affiliation:

1. Department of Medicinal Chemistry, Department of Chemistry, and Minnesota Supercomputing Institute for Advanced Computational Research (MSI), University of Minnesota, Minneapolis, Minnesota 55414, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4001872

Reference71 articles.

1. Handbook on Metalloproteins

2. Metals and Their Scaffolds To Promote Difficult Enzymatic Reactions

3. Supuran, C. T.; Winum, J.Y.Drug Design of Zinc-Enzyme Inhibitors;John Wiley & Sons, Inc.:Hoboken, NJ, 2009; pp1.

4. Carbonic anhydrase inhibitors

5. The Design of Inhibitors for Medicinally Relevant Metalloproteins

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